Am 19.01.2013 19:24, schrieb Filippo Spiga: > You mean "OpenMP-only parallelization gives low performance than 4 MPI > without OpenMP"? Yes. > You mentioned ATLAS in a previous email. If you have Intel compiler > you also have Intel MKL library... 1. I had no Intel compiler when I built that version and knew a far less than now about high performance computing. 2. There are copyright limitations on that Intel software so I am also interested in alternative tools to avoid them. > In case of QE-GPU, having 4 MPI on a multi-core workstation means > share the GPU among them and split by a factor of the number of the > MPI processes the available RAM on the GPU board (in your case 4). I > do not know what kind of GPU do you have but you would like to avoid > this scenario. I use GeForce GTX 460 with 1Gb of memory onboard and I definitely want to avoid this scenario. I've just rebuilt QE.
And, probably, I should leave the heaviest tasks for x86-64 system with more memory... Thanks again for clearing the situation. Anton S. Lytvynenko, L.V.Pisarzhevskii Institute of Physical Chemistry of the National Academy of Sciences of Ukraine. -------------- next part -------------- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20130119/d45b0b4f/attachment.html
